## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
E |
178 |
47 |
20056 |
◊ |
B |
x,y,z |
1_555 |
176 |
46 |
19903 |
1634.4 |
-8.5 |
0.515 |
33 |
9 |
0 |
0.227 |
2 |
|
F |
172 |
46 |
20223 |
◊ |
C |
x,y,z |
1_555 |
171 |
45 |
19750 |
1580.6 |
-6.5 |
0.661 |
30 |
12 |
0 |
0.227 |
3 |
|
D |
172 |
46 |
19964 |
◊ |
A |
x,y,z |
1_555 |
165 |
45 |
20087 |
1574.6 |
-6.5 |
0.631 |
30 |
10 |
0 |
0.227 |
Average: |
1596.5 |
-7.2 |
0.603 |
31 |
10 |
0 |
0.227 |
2 |
4 |
|
F |
107 |
28 |
20223 |
◊ |
A |
x,y,z |
1_555 |
105 |
32 |
20087 |
998.8 |
-6.5 |
0.420 |
17 |
4 |
0 |
0.251 |
5 |
|
E |
106 |
33 |
20056 |
◊ |
A |
x,y,z |
1_555 |
99 |
27 |
20087 |
966.4 |
-8.8 |
0.213 |
14 |
2 |
0 |
0.251 |
6 |
|
F |
111 |
34 |
20223 |
◊ |
E |
x,y,z |
1_555 |
99 |
26 |
20056 |
959.8 |
-7.2 |
0.353 |
13 |
3 |
0 |
0.251 |
7 |
|
D |
101 |
31 |
19964 |
◊ |
B |
x,y,z |
1_555 |
91 |
25 |
19903 |
895.4 |
-7.3 |
0.323 |
15 |
2 |
0 |
0.251 |
8 |
|
D |
99 |
29 |
19964 |
◊ |
C |
x,y,z |
1_555 |
99 |
32 |
19750 |
892.5 |
-8.2 |
0.297 |
11 |
1 |
0 |
0.251 |
9 |
|
C |
91 |
24 |
19750 |
◊ |
B |
x,y,z |
1_555 |
96 |
32 |
19903 |
889.3 |
-6.3 |
0.331 |
13 |
1 |
0 |
0.251 |
Average: |
933.7 |
-7.4 |
0.323 |
14 |
2 |
0 |
0.251 |
3 |
10 |
|
E |
85 |
24 |
20056 |
◊ |
D |
x,y,z |
1_555 |
80 |
20 |
19964 |
695.1 |
-0.3 |
0.776 |
10 |
2 |
0 |
0.041 |
11 |
|
F |
77 |
21 |
20223 |
◊ |
B |
x,y,z |
1_555 |
81 |
22 |
19903 |
684.9 |
-0.7 |
0.774 |
13 |
2 |
0 |
0.041 |
12 |
|
C |
73 |
20 |
19750 |
◊ |
A |
x,y,z |
1_555 |
69 |
17 |
20087 |
607.5 |
-1.5 |
0.702 |
11 |
3 |
0 |
0.041 |
Average: |
662.5 |
-0.8 |
0.751 |
11 |
2 |
0 |
0.041 |
4 |
13 |
|
F |
63 |
19 |
20223 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
75 |
24 |
20087 |
619.8 |
-1.4 |
0.646 |
11 |
5 |
0 |
0.000 |
14 |
|
F |
68 |
23 |
20223 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
60 |
17 |
20056 |
582.8 |
-3.2 |
0.514 |
8 |
2 |
0 |
0.000 |
Average: |
601.3 |
-2.3 |
0.580 |
10 |
4 |
0 |
0.000 |
5 |
15 |
|
A |
56 |
17 |
20087 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
53 |
19 |
20056 |
380.9 |
0.2 |
0.742 |
4 |
0 |
0 |
0.000 |
6 |
16 |
|
E |
20 |
5 |
20056 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
9 |
19964 |
199.5 |
-1.9 |
0.401 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
22 |
9 |
19903 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
18 |
5 |
20223 |
181.8 |
-2.5 |
0.303 |
1 |
0 |
0 |
0.000 |
Average: |
190.7 |
-2.2 |
0.352 |
1 |
0 |
0 |
0.000 |
7 |
18 |
|
[SO4]A:601 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
14 |
20087 |
119.9 |
-20.8 |
0.641 |
6 |
0 |
0 |
0.216 |
8 |
19 |
|
[SO4]F:601 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
19 |
13 |
20223 |
119.1 |
-20.8 |
0.622 |
6 |
0 |
0 |
0.183 |
9 |
20 |
|
[SO4]D:602 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
19964 |
118.2 |
-21.1 |
0.621 |
8 |
0 |
0 |
0.226 |
10 |
21 |
|
[SO4]C:601 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
13 |
19750 |
117.2 |
-20.3 |
0.668 |
7 |
0 |
0 |
0.182 |
11 |
22 |
|
[SO4]E:601 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
20 |
12 |
20056 |
115.2 |
-20.6 |
0.597 |
7 |
0 |
0 |
0.220 |
12 |
23 |
|
[SO4]B:602 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
13 |
19903 |
114.9 |
-20.7 |
0.629 |
7 |
0 |
0 |
0.220 |
13 |
24 |
|
[GOL]B:607 |
5 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
19903 |
104.3 |
0.3 |
0.595 |
1 |
0 |
0 |
0.000 |
14 |
25 |
|
[GOL]A:604 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
19964 |
102.9 |
0.4 |
0.717 |
4 |
0 |
0 |
0.013 |
15 |
26 |
|
[GOL]C:607 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
19750 |
99.4 |
-0.0 |
0.567 |
2 |
0 |
0 |
0.007 |
16 |
27 |
|
[GOL]A:605 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
20087 |
99.2 |
0.2 |
0.623 |
2 |
0 |
0 |
0.011 |
28 |
|
[GOL]C:606 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
20223 |
97.9 |
0.2 |
0.617 |
3 |
0 |
0 |
0.011 |
Average: |
98.5 |
0.2 |
0.620 |
3 |
0 |
0 |
0.011 |
17 |
29 |
|
[GOL]B:606 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
19903 |
91.2 |
-1.1 |
0.469 |
2 |
0 |
0 |
0.018 |
18 |
30 |
|
[GOL]B:606 |
6 |
1 |
218 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
14 |
6 |
20223 |
88.4 |
-0.2 |
0.535 |
3 |
0 |
0 |
0.000 |
19 |
31 |
|
[GOL]B:605 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
19903 |
84.5 |
0.7 |
0.710 |
2 |
0 |
0 |
0.002 |
20 |
32 |
|
[SO4]D:601 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
19964 |
76.5 |
-10.4 |
0.860 |
4 |
0 |
0 |
0.112 |
21 |
33 |
|
[SO4]B:601 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19903 |
76.3 |
-10.2 |
0.869 |
7 |
0 |
0 |
0.123 |
22 |
34 |
|
[GOL]B:607 |
4 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
20223 |
75.7 |
0.8 |
0.733 |
3 |
0 |
0 |
0.004 |
23 |
35 |
|
[GOL]A:606 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20087 |
75.1 |
-0.9 |
0.418 |
1 |
0 |
0 |
0.012 |
24 |
36 |
|
[SO4]A:602 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20087 |
74.3 |
-10.1 |
0.847 |
6 |
0 |
0 |
0.117 |
25 |
37 |
|
[SO4]E:602 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
20056 |
72.1 |
-9.7 |
0.867 |
3 |
0 |
0 |
0.102 |
26 |
38 |
|
C |
6 |
3 |
19750 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
3 |
20087 |
71.0 |
-1.8 |
0.193 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[GOL]A:605 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
19964 |
70.1 |
-0.2 |
0.589 |
1 |
0 |
0 |
0.008 |
40 |
|
[GOL]C:606 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
19750 |
68.1 |
-0.1 |
0.579 |
2 |
0 |
0 |
0.008 |
Average: |
69.1 |
-0.1 |
0.584 |
2 |
0 |
0 |
0.008 |
28 |
41 |
|
[SO4]F:602 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
20223 |
69.9 |
-9.2 |
0.857 |
3 |
0 |
0 |
0.082 |
29 |
42 |
|
[SO4]C:602 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
19750 |
69.3 |
-9.3 |
0.862 |
4 |
0 |
0 |
0.086 |
30 |
43 |
|
[GOL]C:607 |
5 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
20223 |
62.9 |
0.2 |
0.633 |
2 |
0 |
0 |
0.006 |
31 |
44 |
|
[GOL]A:604 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
20087 |
60.4 |
-0.5 |
0.547 |
0 |
0 |
0 |
0.005 |
32 |
45 |
|
[MN]D:603 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
19964 |
55.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.090 |
46 |
|
[MN]A:603 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20087 |
55.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.090 |
47 |
|
[MN]B:604 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
20056 |
52.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.090 |
48 |
|
[MN]F:603 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
20223 |
49.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.090 |
49 |
|
[MN]B:603 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19903 |
49.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.090 |
50 |
|
[MN]F:604 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19750 |
46.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.090 |
51 |
|
[MN]C:604 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
20223 |
42.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.090 |
52 |
|
[MN]C:605 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19750 |
42.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
49.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.090 |
33 |
53 |
|
[NA]C:603 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
19750 |
50.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.048 |
34 |
54 |
|
C |
7 |
3 |
19750 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
3 |
20056 |
44.8 |
-0.8 |
0.360 |
0 |
0 |
0 |
0.000 |
35 |
55 |
|
[NA]F:605 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
20223 |
44.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.042 |
36 |
56 |
|
[MN]F:604 |
1 |
1 |
123 |
f |
[MN]C:605 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.028 |
37 |
57 |
|
[MN]F:603 |
1 |
1 |
123 |
f |
[MN]C:604 |
x,y,z |
1_555 |
1 |
1 |
123 |
31.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.024 |
38 |
58 |
|
[MN]C:604 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19750 |
31.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
59 |
|
[MN]F:604 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
20223 |
29.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
60 |
|
[MN]B:604 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19903 |
28.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
61 |
|
[MN]D:603 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20087 |
28.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
62 |
|
[MN]B:603 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
20056 |
27.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.016 |
63 |
|
[MN]A:603 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19964 |
27.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
28.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
64 |
|
[GOL]C:607 |
3 |
1 |
218 |
◊ |
[GOL]C:606 |
x,y,z |
1_555 |
3 |
1 |
220 |
28.1 |
-0.4 |
0.458 |
0 |
0 |
0 |
0.003 |
40 |
65 |
|
[GOL]A:606 |
2 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19964 |
23.4 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.002 |
41 |
66 |
|
[GOL]A:605 |
2 |
1 |
218 |
◊ |
[GOL]A:604 |
x,y,z |
1_555 |
2 |
1 |
217 |
23.3 |
-0.5 |
0.525 |
0 |
0 |
0 |
0.005 |
42 |
67 |
|
[MN]C:605 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
20223 |
22.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
68 |
|
[MN]F:603 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19750 |
18.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
20.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
43 |
69 |
|
[NA]F:605 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19903 |
13.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
44 |
70 |
|
[SO4]F:601 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19750 |
6.2 |
-0.8 |
0.458 |
0 |
0 |
0 |
0.007 |
45 |
71 |
|
[SO4]E:601 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19903 |
4.9 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.006 |
46 |
72 |
|
[SO4]D:602 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20087 |
4.8 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.006 |
47 |
73 |
|
[SO4]B:602 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
20056 |
4.7 |
-0.7 |
0.500 |
0 |
0 |
0 |
0.006 |
48 |
74 |
|
[SO4]C:601 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
20223 |
4.6 |
-0.6 |
0.508 |
0 |
0 |
0 |
0.005 |
49 |
75 |
|
[SO4]A:601 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19964 |
2.8 |
-0.4 |
0.617 |
0 |
0 |
0 |
0.003 |
|